5-bromo-N-propyl-2-(trifluoromethyl)aniline

C10H11BrF3N — CID 107285802

IUPAC5-bromo-N-propyl-2-(trifluoromethyl)aniline
SMILESCCCNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-5-15-9-6-7(11)3-4-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyGDKOSVHXVBBHAI-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-N-propyl-2-(trifluoromethyl)aniline

5-bromo-N-propyl-2-(trifluoromethyl)aniline (PubChem CID 107285802) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-N-propyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-propyl-2-(trifluoromethyl)aniline
PubChem CID107285802
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N-propyl-2-(trifluoromethyl)aniline
SMILESCCCNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-5-15-9-6-7(11)3-4-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyGDKOSVHXVBBHAI-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
5-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 107286657
3-[5-bromo-2-(trifluoromethyl)anilino]propane-1-sulfonamide
CID 107286165
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 107285856
4-[5-bromo-2-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 107285618
5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
CID 107286561
5-bromo-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)aniline
CID 107285876
5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline
CID 107286088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-propyl-2-(trifluoromethyl)aniline (CID 107285802) is 5-bromo-N-propyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-propyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-propyl-2-(trifluoromethyl)aniline is CCCNc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-propyl-2-(trifluoromethyl)aniline?
The InChIKey is GDKOSVHXVBBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-2-5-15-9-6-7(11)3-4-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 5-bromo-N-propyl-2-(trifluoromethyl)aniline?
5-bromo-N-propyl-2-(trifluoromethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107285802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).